Vitas-M small molecule compound
3-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK471376
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H26N2O4S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4S/c27-21(18-13-9-11-14(12-10-13)19(18)24(29)30)26-23-20(16-7-4-8-17(16)31-23)22(28)25-15-5-2-1-3-6-15/h1-3,5-6,13-14,18-19H,4,7-12H2,(H,25,28)(H,26,27)(H,29,30)InChIKey
CNINJAOIYFFPCM-UHFFFAOYSA-NSynonyms
2((3(phenylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(phenylcarbamoyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(NPHENYLCARBAMOYL)456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4C5CCC(C4C(=O)O)CC5
InChI=1SC24H26N2O4Sc2721(181391114(121013)19(18)24(29)30)262320(1674817(16)3123)22(28)25155213615h135613141819H4712H2(H2528)(H2627)(H2930)
MFCD06030796
ZINC000017102378
ZINC000017102383
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